Dear user, I have a question about case.int in WIEN2k 12. What does the second and third columns in line 3 in the sample case.int below mean? Per the description, "N 0.000" refers to "G/L/B broadening (Ry)." But isn't that what line 2 is doing. In other words, does one even need line 3 at all? To be honest, I am not sure what N is doing.
Title -0.50 0.002 1.500 0.003 # EMIN, DE, EMAX, Gauss-broadening(>de) 5 N 0.000 # NUMBER OF DOS-CASES specified below, G/L/B broadening (Ry) 0 1 total # atom, case=column in qtl-header, label 1 1 Atom1 tot 1 2 Atom1 s 1 3 Atom1 p 2 1 Atom2 tot Thanks!